Information card for entry 7121148

Structure parameters

• Formula: C24 H68 Al Li N6 Si4
• Calculated formula: C24 H68 Al Li N6 Si4
• SMILES: [AlH2](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Li]123[N](C)(C)CC[N]1(CC[N]2(C)C)CC[N]3(C)C
• Title of publication: Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications
• Authors of publication: Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 14.9972 ± 0.0004 Å
• b: 12.4262 ± 0.0003 Å
• c: 20.9919 ± 0.0006 Å
• α: 90°
• β: 105.804 ± 0.003°
• γ: 90°
• Cell volume: 3764.13 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No